2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid

C10H19NO4 — CID 23422739

IUPAC2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid
SMILESCC(C)(C)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,3)4-5-11(6-8(12)13)7-9(14)15/h4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyUYIZJTNMCWIYHZ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.89
Rot. Bonds6

About 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid

2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid (PubChem CID 23422739) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid
PubChem CID23422739
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid
SMILESCC(C)(C)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,3)4-5-11(6-8(12)13)7-9(14)15/h4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyUYIZJTNMCWIYHZ-UHFFFAOYSA-N
XLogP0.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid (CID 23422739) is 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid is CC(C)(C)CCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid?
The InChIKey is UYIZJTNMCWIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)4-5-11(6-8(12)13)7-9(14)15/h4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid?
2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(3,3-dimethylbutyl)amino]acetic acid is sourced from PubChem (CID 23422739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).